%chk=000186524.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186524

0 1
S -0.169019 1.914625 -0.222715
S 2.421224 0.936674 1.030662
O 0.530312 -1.481848 1.325048
O 3.528058 -0.772700 -0.442876
N 0.119739 -0.464997 0.779548
C -1.258352 -0.373259 0.309286
C -1.567396 0.872566 -0.273583
C 0.801897 0.676446 0.550421
C -2.220165 -1.390420 0.397755
C -2.840028 1.130935 -0.780468
C -3.489984 -1.129320 -0.109690
C -3.795302 0.117569 -0.691980
C 3.386188 0.649576 -0.481265
C 4.261026 -1.323537 -1.555440
H -1.960173 -2.348852 0.853945
H -3.080361 2.092975 -1.230145
H -4.262068 -1.897184 -0.057410
H -4.800902 0.289868 -1.079985
H 2.879230 0.975391 -1.402249
H 4.366310 1.145815 -0.368651
H 4.247404 -2.398363 -1.331769
H 5.286363 -0.945681 -1.568345
H 3.746600 -1.119478 -2.497792


%chk=000186524-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186524

0 1
S -0.059010 2.171329 -0.077846
S 2.613887 1.048314 1.156542
O 0.798497 -1.570937 0.939435
O 4.328991 -0.504733 -0.556037
N 0.297404 -0.401267 0.547565
C -1.048397 -0.307377 0.047177
C -1.421972 0.999364 -0.342364
C 0.968698 0.797768 0.556743
C -1.932196 -1.398349 -0.050611
C -2.712266 1.252788 -0.849270
C -3.221921 -1.147256 -0.557862
C -3.607012 0.164484 -0.952753
C 3.702852 0.750710 -0.494018
C 3.431004 -1.639785 -0.848107
H -1.594007 -2.387962 0.268657
H -3.016791 2.259053 -1.152682
H -3.938970 -1.969527 -0.647607
H -4.615721 0.337084 -1.342516
H 2.988734 0.953484 -1.315968
H 4.487355 1.515931 -0.409434
H 4.083308 -2.523419 -0.900202
H 2.922936 -1.486185 -1.822192
H 2.675198 -1.756711 -0.044348


